Analyzing the Trans Effect in Pt(II) Complexes from the Overlap Model Perspective

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Details
  • Presentation type: Apresentação de Pôster / Poster Communications
  • Track: Chemical Reactivity
  • Keywords: Trans Effect; Pt(II) complexes; Overlap Model; DFT;

Authors:

  • 1 Instituto de Química e Biotecnologia / Universidade Federal de Alagoas
  • 2 Universidade Federal da Paraíba
  • 3 Universidade Federal de Pernambuco - UFPE
  • 4 Departamento de Química e Física / Universidade Federal da Paraíba – Campus Areia

Analyzing the Trans Effect in Pt(II) Complexes from the Overlap Model Perspective

Renaldo Moura Jr

Universidade Estadual do Maranhão

Abstract

The overlap model provides a new insight for the trans effect in trans-Pt(NH3)2(H2O) complexes

BP86/SBKJC(Pt)/cc-PVDZ(ligands)/PCM calculations performed

Overlap Coulomb repulsion is related with the trans effect of CN and F-

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